3-methyl-3-(2,3,4-trimethylphenyl)butan-1-amine

C14H23N — CID 116962225

IUPAC3-methyl-3-(2,3,4-trimethylphenyl)butan-1-amine
SMILESCc1ccc(C(C)(C)CCN)c(C)c1C
InChIInChI=1S/C14H23N/c1-10-6-7-13(12(3)11(10)2)14(4,5)8-9-15/h6-7H,8-9,15H2,1-5H3
InChIKeyCBIINBJBJWJYQV-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.24
Rot. Bonds3

About 3-methyl-3-(2,3,4-trimethylphenyl)butan-1-amine

3-methyl-3-(2,3,4-trimethylphenyl)butan-1-amine (PubChem CID 116962225) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 3-methyl-3-(2,3,4-trimethylphenyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-3-(2,3,4-trimethylphenyl)butan-1-amine
PubChem CID116962225
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name3-methyl-3-(2,3,4-trimethylphenyl)butan-1-amine
SMILESCc1ccc(C(C)(C)CCN)c(C)c1C
InChIInChI=1S/C14H23N/c1-10-6-7-13(12(3)11(10)2)14(4,5)8-9-15/h6-7H,8-9,15H2,1-5H3
InChIKeyCBIINBJBJWJYQV-UHFFFAOYSA-N
XLogP3.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-N-[2-methyl-2-(2,3,4-trimethylphenyl)propyl]propane-1,2,3-triamine
CID 115120224
[[2-methyl-2-(2,3,4-trimethylphenyl)propyl]amino]methanethiol
CID 115228629
3-methyl-3-(2,4,5-trimethylphenyl)butan-1-amine
CID 80502709
1-tert-butyl-2,3,4-trimethylbenzene
CID 19367867
N-(2-chloroethyl)-2-methyl-2-(2,3,4-trimethylphenyl)propan-1-amine
CID 115215348
CID 174136543
CID 174136543
2,2-dimethyl-N-[(2,3,4-trimethylphenyl)methyl]butane-1,4-diamine
CID 115204464
2-methyl-2-(2,3,4-trimethylphenyl)propanamide
CID 139899839
4-amino-2-(5-bromo-2-methylphenyl)butan-2-ol
CID 83732603
2-chloro-N-[2-(2,3,4-trimethylphenyl)propan-2-yl]acetamide
CID 116829580
2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-amine
CID 107514700
1,2-dimethyl-3-(2-methylheptan-2-yl)benzene
CID 175950206

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2,3,4-trimethylphenyl)butan-1-amine?
The IUPAC name of 3-methyl-3-(2,3,4-trimethylphenyl)butan-1-amine (CID 116962225) is 3-methyl-3-(2,3,4-trimethylphenyl)butan-1-amine.
What is the SMILES notation for 3-methyl-3-(2,3,4-trimethylphenyl)butan-1-amine?
The canonical SMILES for 3-methyl-3-(2,3,4-trimethylphenyl)butan-1-amine is Cc1ccc(C(C)(C)CCN)c(C)c1C.
What is the InChIKey of 3-methyl-3-(2,3,4-trimethylphenyl)butan-1-amine?
The InChIKey is CBIINBJBJWJYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-10-6-7-13(12(3)11(10)2)14(4,5)8-9-15/h6-7H,8-9,15H2,1-5H3.
What are the key properties of 3-methyl-3-(2,3,4-trimethylphenyl)butan-1-amine?
3-methyl-3-(2,3,4-trimethylphenyl)butan-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2,3,4-trimethylphenyl)butan-1-amine is sourced from PubChem (CID 116962225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).